SCHEMBL9682439

SCHEMBL9682439

c1ccc(C(CCCC(c2ccccc2OCC2CO2)c2ccccc2OCC2CO2)c2ccccc2OCC2CO2)c(OCC2CO2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
GLA P06280 1/20 0.57
TDP1 Q9NUW8 1/20 0.53
TP53 P04637 3/20 0.44
TSHR P16473 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HRH3 Q9Y5N1 4/20 0.42
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DRD4 P21917 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5954032 0.84 ALDH1A1 (0.61) ALDH1A1GLATDP1TP53TSHR
SCHEMBL140526 0.83 ALDH1A1 (0.64) ALDH1A1GLATDP1TP53TSHR
SCHEMBL1207726 0.83 ALDH1A1 (0.64) ALDH1A1GLATDP1TP53TSHR
SCHEMBL8489678 0.82 ALDH1A1 (0.58) ALDH1A1GLATDP1TP53TSHR
SCHEMBL10824444 0.82 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL8488783 0.81 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL8735083 0.81 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
SCHEMBL4897371 0.81 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
SCHEMBL1791806 0.81 ALDH1A1 (0.60) ALDH1A1GLATDP1TP53TSHR
SCHEMBL679937 0.79 ALDH1A1 (0.78) ALDH1A1GLATDP1TP53TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0465738-A2 Process for producing tetraepoxy resins, epoxy resin compositions, tetraepoxy resins and tetrahydric phenol compounds DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-01-15 EP disclosed